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<p>In this study, non-stoichiometric Ni–O thin films were synthesized by magnetron sputtering, enabling precise control over their morphology independently of the chemical composition. X-ray diffraction indicated the presence of crystalline Ni(111) planes, while Raman confirmed amorphous nickel oxide. Samples with the various amount of crystalline Ni were grown. X-ray photoelectron spectroscopy further revealed a mixture of metallic Ni and partially oxidized Ni–O species. Electrochemical analysis demonstrated that the thin films characterized by highly abundant Ni(111) planes exhibit catalytic activity for H<sub>2</sub>O<sub>2</sub> detection, with the current density of − 1.64 × 10<sup>−</sup><sup>4</sup> A/cm<sup>2</sup>. To gain deeper insight into the underlying mechanisms, density functional theory calculations were performed, showing that metallic sites on Ni(111) offer stronger interaction for OH groups than amorphous NiO, with average adsorption energies of − 3.76 and − 1.86&#xa0;eV, respectively. The simulations also indicated that OH groups from H<sub>2</sub>O<sub>2</sub> preferentially dock onto bridge sites of Ni(111). These findings highlight the significant potential of non-stoichiometric Ni–O systems for electrochemical sensing applications and provide valuable understanding of H<sub>2</sub>O<sub>2</sub> interactions with oxides.</p>

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Surface interaction of Ni based electrocatalyst with hydrogen peroxide

  • 期刊论文

  • 出版模式：

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  • 发表日期：

    2025年11月25日

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  • Nabi Ullah,
  • Denis Music,
  • Agata Blacha-Grzechnik,
  • Vladimir Ivanovski,
  • Katarzyna Ranoszek-Soliwoda,
  • Jarosław Grobelny,
  • Dariusz Guziejewski

摘要

In this study, non-stoichiometric Ni–O thin films were synthesized by magnetron sputtering, enabling precise control over their morphology independently of the chemical composition. X-ray diffraction indicated the presence of crystalline Ni(111) planes, while Raman confirmed amorphous nickel oxide. Samples with the various amount of crystalline Ni were grown. X-ray photoelectron spectroscopy further revealed a mixture of metallic Ni and partially oxidized Ni–O species. Electrochemical analysis demonstrated that the thin films characterized by highly abundant Ni(111) planes exhibit catalytic activity for H2O2 detection, with the current density of − 1.64 × 10−4 A/cm2. To gain deeper insight into the underlying mechanisms, density functional theory calculations were performed, showing that metallic sites on Ni(111) offer stronger interaction for OH groups than amorphous NiO, with average adsorption energies of − 3.76 and − 1.86 eV, respectively. The simulations also indicated that OH groups from H2O2 preferentially dock onto bridge sites of Ni(111). These findings highlight the significant potential of non-stoichiometric Ni–O systems for electrochemical sensing applications and provide valuable understanding of H2O2 interactions with oxides.